@MOLECULE zidovudine 19 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.8647 -1.1737 0.6082 O.2 1 UNL1 -0.2771 2 O 3.5839 -3.1466 0.1333 O.2 1 UNL1 -0.1450 3 O -1.5268 -0.5400 -2.5391 O.2 1 UNL1 -0.2349 4 O -5.3767 0.3996 -0.1632 O.2 1 UNL1 -0.4146 5 N -0.8685 0.2914 0.8870 N.pl3 1 UNL1 -0.0018 6 N 3.8797 0.6736 -0.1491 N.2 1 UNL1 -0.3677 7 N -3.5196 -0.0141 -1.3469 N.am 1 UNL1 -0.5998 8 N 4.2073 1.8769 -0.2901 N.2 1 UNL1 0.4354 9 N 4.7139 2.8782 -0.4523 N.2 1 UNL1 -0.1645 10 C 2.5780 0.3208 0.1517 C.3 1 UNL1 0.0407 11 C 0.4073 0.1953 0.6311 C.2 1 UNL1 0.0871 12 C 1.4230 1.1160 0.3624 C.2 1 UNL1 -0.1167 13 C 2.2234 -1.0619 0.3068 C.2 1 UNL1 -0.0497 14 C 2.9435 -2.1893 0.2273 C.1 1 UNL1 0.3693 15 C -2.0237 0.2899 1.1071 C.3 1 UNL1 0.0543 16 C -2.4255 -0.2809 -1.8432 C.1 1 UNL1 0.6082 17 C -3.4061 0.2959 1.1133 C.2 1 UNL1 -0.6389 18 C -4.1847 0.2379 -0.1552 C.2 1 UNL1 0.7208 19 C -4.0756 0.3641 2.2866 C.2 1 UNL1 0.6947 @BOND 1 3 16 2 2 16 7 2 3 7 18 1 4 9 8 2 5 8 6 2 6 4 18 2 7 18 17 1 8 6 10 1 9 2 14 2 10 10 13 1 11 10 12 1 12 14 13 2 13 13 1 1 14 12 11 2 15 1 11 1 16 11 5 1 17 5 15 1 18 15 17 1 19 17 19 2